Molecule

ID:94528

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀BF₄N
Molecular Mass
229.0664128
Exact Mass
229.16249293
Charge
0
InChI
InChI=1S/C9H20N.BF4/c1-3-4-7-10(2)8-5-6-9-10;2-1(3,4)5/h3-9H2,1-2H3;/q+1;-1
InChIKey
PGCVCJOPLBWQHU-UHFFFAOYSA-N
Canonic Smiles
F[B-](F)(F)F.CCCC[N+]1(C)CCCC1
Isomeric Smiles
[N+]1(CCCC1)(C)CCCC.[B-](F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-2.2424707
LogD (pH = 7.4)
-2.2424707
Log P
-2.2424707
Molar Refractivity
57.3163
Polarizability
18.064388
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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